Chemical ID: 5830188

CC1CCCN(C1)C(=O)C2CCN(CC2)Cc3ccc(cc3)C(F)(F)F
Chemical ID:
5830188
Name [?]:
(3-methyl-1-piperidyl)-[1-[[4-(trifluoromethyl)phenyl]methyl]-4-piperidyl]-methanone
SMILES [?]:
CC1CCCN(C1)C(=O)C2CCN(CC2)Cc3ccc(cc3)C(F)(F)F
InChi [?]:
InChI=1/C20H27F3N2O/c1-15-3-2-10-25(13-15)19(26)17-8-11-24(12-9-17)14-16-4-6-18(7-5-16)20(21,22)23/h4-7,15,17H,2-3,8-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,18,22,19,21,11,15,5,12,14,7,16,2,17,10,20,8,23,24,25,26,13,6,9/E:(4,5)(6,7)(8,9)(11,12)(21,22,23)/rA:26cCCCCCNCCOCCCNCCCCCCCCCCFFF/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;s8;s10;s11;s12;s13;s10s14;s13;s16;s17;d18;s19;d20;d17s21;s20;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H27F3N2O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.6279
Area:557.896
Solvation:-3.31947
Coulombic:-40.8466
Bond Count [?]
All:28
Single:24
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:368.436
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.71
LogP (Chemaxon):3.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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